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1163729-47-2,MFCD13659409
Catalog No.:AA000C9C
1163729-47-2 | 4-Hydroxy-4-(trifluoromethyl)cyclohexanecarboxylic acid
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Purity
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100mg
95%
in stock  
$52.00   $36.00
- +
250mg
95%
in stock  
$85.00   $60.00
- +
1g
95%
in stock  
$255.00   $179.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA000C9C
Chemical Name:
4-Hydroxy-4-(trifluoromethyl)cyclohexanecarboxylic acid
CAS Number:
1163729-47-2
Molecular Formula:
C8H11F3O3
Molecular Weight:
212.1663
MDL Number:
MFCD13659409
IUPAC Name:
4-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H11F3O3/c9-8(10,11)7(14)3-1-5(2-4-7)6(12)13/h5,14H,1-4H2,(H,12,13)
InChI Key:
FIUBKGKIMNZJSO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(CC1)(O)C(F)(F)F
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.066g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.168g/mol
Monoisotopic Mass:
212.066g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
4-Hydroxy-4-(trifluoromethyl)cyclohexanecarboxylic acid 
1163729-47-2 
FIUBKGKIMNZJSO-UHFFFAOYSA-N 
KS-00000OU9 
ANW-48997 
MFCD13659409 
ZINC72482088 
AKOS015920295 
ZINC584601247 
CS-W022194 
FCH1383661 
GS-3959 
4-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid 
BR-51680 
DA-17688 
AB0034929 
AJ-121155 
AX8214201 
TC-137742 
4CH-010568 
FT-0688721 
ST24023564 
X9165 
AK-51680 
S-6848 
Cyclohexanecarboxylic acid, 4-hydroxy-4-(trifluoromethyl)- 
C8H11F3O3 
(1s,4s)-4-Hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid 
1643570-58-4 
SCHEMBL709793 
SCHEMBL16336444 
CTK8B5518 
DTXSID70720960 
Literature
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